Chemical ID: 6723522

c1cc(c[nH+]c1)S(=O)(=O)N2CCC(CC2)C(=O)[O-]
Chemical ID:
6723522
Name [?]:
1-(1H-pyridin-3-ylsulfonyl)piperidine-4-carboxylate
SMILES [?]:
c1cc(c[nH+]c1)S(=O)(=O)N2CCC(CC2)C(=O)[O-]
InChi [?]:
InChI=1/C11H14N2O4S/c14-11(15)9-3-6-13(7-4-9)18(16,17)10-2-1-5-12-8-10/h1-2,5,8-9H,3-4,6-7H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,12,14,6,11,15,4,13,3,16,5,10,17,18,8,9,7/E:(3,4)(6,7)(14,15)(16,17)/CRV:18.6/rA:18nCCCCN+CSOONCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s3;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2O4S
All Atoms:32
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-51.0171
Area:430.689
Solvation:-61.7843
Coulombic:-9.36561
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.306
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.71
LogP (Chemaxon):-0.48

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